SCHEMBL972810

SCHEMBL972810

Cc1csc(N2CCC(NC(=O)C#Cc3ccccc3C)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.38
HRH3 Q9Y5N1 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMPD3 Q9NY59 3/20 0.36
GRM5 P41594 1/20 0.36
BTK Q06187 3/20 0.35
DPP4 P27487 1/20 0.35
AKT1 P31749 1/20 0.35
USP30 Q70CQ3 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4704099 0.94 HRH3 (0.40) HRH3ALDH1A1GRM5DPP4
SCHEMBL973611 0.91 LMNA (0.37) ACKR3GRM5BTKAKT1
SCHEMBL971760 0.90 SMN1; SMN2 (0.39) ACKR3HRH3ALDH1A1SMPD3GRM5
SCHEMBL972950 0.89 GRM5 (0.40) HRH3SMPD3GRM5
SCHEMBL973545 0.88 BTK (0.45) ACKR3HRH3SMPD3GRM5BTK
SCHEMBL974372 0.86 SMPD3 (0.36) ACKR3SMPD3BTKAKT1
SCHEMBL2855060 0.85 ALDH1A1 (0.43) ACKR3HRH3ALDH1A1SMPD3BTK
SCHEMBL4701477 0.84 SMN1; SMN2 (0.42) HRH3ALDH1A1GRM5
SCHEMBL971906 0.84 SMPD3 (0.41) ACKR3HRH3SMPD3GRM5BTK
SCHEMBL974804 0.84 SMN1; SMN2 (0.41) ACKR3HRH3ALDH1A1SMPD3BTK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US claimed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US claimed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO claimed
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, SLC5A2, DPP4 ACKR3 2993/4885HRH3 2654/4885ALDH1A1 844/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.